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Information card for entry 4121932
Preview
Coordinates | 4121932.cif |
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Original paper (by DOI) | HTML |
Formula | C138.5 H82 N6 Ni O3 |
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Calculated formula | C138.5 H82 N6 Ni O3 |
Title of publication | Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue. |
Authors of publication | Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 23 |
Pages of publication | 8193 - 8196 |
a | 14.682 ± 0.0003 Å |
b | 14.9432 ± 0.0003 Å |
c | 22.5408 ± 0.0004 Å |
α | 104.896 ± 0.0009° |
β | 102.991 ± 0.001° |
γ | 99.4224 ± 0.0012° |
Cell volume | 4526.19 ± 0.16 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0885 |
Residual factor for significantly intense reflections | 0.0789 |
Weighted residual factors for significantly intense reflections | 0.2188 |
Weighted residual factors for all reflections included in the refinement | 0.2384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.85 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121932.html
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